SEQ2FUN

BioLiP

PDB CCD ID: 4RU
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N4 O
InChI: InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)
InChIKey: FCYPWSQPDXUBPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc2c(c1)c(c(nn2)C(=O)N)N
CACTVS 3.385NC(=O)c1nnc2ccccc2c1N
ACDLabs 12.01NC(c2nnc1ccccc1c2N)=O
Name:4-aminocinnoline-3-carboxamide
ChEMBL: CHEMBL449216
ZINC: ZINC000000156028
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).